BAS 00900986
TL;DR: BAS 00900986 (CAS 352435-52-0) is a chemical compound with molecular formula C21H17BrN2O6 and molecular weight 472.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
Also Known As: BAS 00900986, (4Z)-4-[[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one, 4-{3-bromo-5-methoxy-4-[(2-methyl-2-propenyl)oxy]benzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one, 4-{[3-bromo-5-methoxy-4-(2-methylprop-2-enyloxy)phenyl]methylene}-2-(4-nitroph enyl)-1,3-oxazolin-5-one
| Molecular Formula | C21H17BrN2O6 |
|---|---|
| Molecular Weight | 472.03 g/mol |
| LogP | 4.6653 |
| Topological Polar Surface Area | 100.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.027 |
| Heavy Atoms | 30 |
| Complexity | 1089.4205 |
Chemical Identifiers
| CAS Number | 352435-52-0 |
|---|---|
| SMILES | CC(=C)COC1=C(C=C(C=C1Br)/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])OC |
Product Overview
BAS 00900986 (CAS 352435-52-0), with molecular formula C21H17BrN2O6 and molecular weight 472.03 g/mol. IUPAC: (4Z)-4-[[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one.
Chemical Property Profile of BAS 00900986
Property Insights of BAS 00900986
The XLogP value of 4.6653 indicates that BAS 00900986 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.26 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00900986. Following Lipinski's Rule of Five, BAS 00900986 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00900986?
The CAS number of BAS 00900986 is 352435-52-0.
What is the molecular formula of BAS 00900986?
The molecular formula of BAS 00900986 is C21H17BrN2O6.
What is the molecular weight of BAS 00900986?
The molecular weight of BAS 00900986 is 472.03 g/mol.
Where can I buy BAS 00900986?
You can request a quote for BAS 00900986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00900986?
Yes, KEHONG BIO provides custom synthesis services for BAS 00900986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.